⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL268826 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL8427801 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL548065 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL5069633 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL4179168 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL10637653 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL4321988 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL3817872 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL9820273 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL1907067 | 0.82 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107572569-A | The method for manufacturing high-purity alpha-alumina | 波拉尔蓝宝石有限公司 | 2018-01-12 | — | — | CN | disclosed |
| WO-1996011593-A1 | NICOTINE ABSORBENT STICK | NICO ATTENUATION, L.L.C. (US) | 1996-04-25 | — | — | WO | disclosed |